1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol

C15H14F3NO2 — CID 62268463

IUPAC1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
SMILESNc1cccc(C(O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)11-4-2-6-13(8-11)21-9-14(20)10-3-1-5-12(19)7-10/h1-8,14,20H,9,19H2
InChIKeyCFCLYHFQDSKUDL-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.40
Rot. Bonds4

About 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol

1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol (PubChem CID 62268463) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
PubChem CID62268463
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
SMILESNc1cccc(C(O)COc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)11-4-2-6-13(8-11)21-9-14(20)10-3-1-5-12(19)7-10/h1-8,14,20H,9,19H2
InChIKeyCFCLYHFQDSKUDL-UHFFFAOYSA-N
XLogP3.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol (CID 62268463) is 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol is Nc1cccc(C(O)COc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is CFCLYHFQDSKUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)11-4-2-6-13(8-11)21-9-14(20)10-3-1-5-12(19)7-10/h1-8,14,20H,9,19H2.
What are the key properties of 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 62268463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).